2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone

C18H18O2S — CID 64639088

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H18O2S/c1-13-5-7-15(8-6-13)18(19)12-21(20)17-10-9-14-3-2-4-16(14)11-17/h5-11H,2-4,12H2,1H3
InChIKeyFYPPJFVQIREWBL-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.47
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone

2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone (PubChem CID 64639088) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
PubChem CID64639088
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H18O2S/c1-13-5-7-15(8-6-13)18(19)12-21(20)17-10-9-14-3-2-4-16(14)11-17/h5-11H,2-4,12H2,1H3
InChIKeyFYPPJFVQIREWBL-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64635738
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
CID 116694915
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
4-[2-(4-methylphenyl)sulfinylacetyl]benzonitrile
CID 14380227
2,3-dihydro-1H-indene-5-sulfinic acid
CID 22503835
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
2-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)-3,3,3-trifluoropropanoic acid
CID 80996550
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone
CID 155718370

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone (CID 64639088) is 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CS(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone?
The InChIKey is FYPPJFVQIREWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-13-5-7-15(8-6-13)18(19)12-21(20)17-10-9-14-3-2-4-16(14)11-17/h5-11H,2-4,12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone?
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone has a molecular weight of 298.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 64639088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).